6PVJ

Crystal structure of PhqK in complex with malbrancheamide C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.7293
Spacegroup name	P 21 21 21
Unit cell lengths	48.077, 82.801, 120.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.372 - 1.250
R-factor	0.1545
Rwork	0.154
R-free	0.17510
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.372	1.300
High resolution limit [Å]	1.250	1.250
Rmerge	0.069
Number of reflections	1725902	13092
<I/σ(I)>	1.11
Completeness [%]	100.0
Redundancy	13
CC(1/2)		0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	25% PEG 3350, 200 mM ammonium acetate, 100 mM Bis-Tris pH 5.5, 2% 2,2,2-trifluoroethanol